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5-(4-NITROPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID , CAS No.189083-63-4

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5-(4-NITROPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID , CAS No.189083-63-4

COA

Cas Number: 189083-63-4
Molecular Weight: 233.185
PubChem CID: 2771349

In stock

Item Number

N168183

Grouped product items
SKU	Size	Availability	Price	Qty
N168183-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$32.90

Basic Description

Synonyms	5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid \| 189083-63-4 \| 3-(4-nitrophenyl)-1H-pyrazole-5-carboxylic acid \| CHEMBL455953 \| 1H-Pyrazole-3-carboxylic acid, 5-(4-nitrophenyl)- \| 5-(4-nitrophenyl)-2H-pyrazole-3-carboxylic acid \| SCHEMBL874728 \| 3-(4-nitrophenyl)-1{H}
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrazoles
Alternative Parents	Nitrobenzenes Pyrazole carboxylic acids and derivatives Nitroaromatic compounds Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpyrazole - Nitrobenzene - Nitroaromatic compound - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

pol Human immunodeficiency virus type 1 integrase (9041 Activities)

Discover Target: pol

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Human immunodeficiency virus 1 (70413 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	3-(4-nitrophenyl)-1H-pyrazole-5-carboxylic acid
INCHI	InChI=1S/C10H7N3O4/c14-10(15)9-5-8(11-12-9)6-1-3-7(4-2-6)13(16)17/h1-5H,(H,11,12)(H,14,15)
InChIKey	YTCUAJQXEKPQMF-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C2=NNC(=C2)C(=O)O)[N+](=O)[O-]
Isomeric SMILES	C1=CC(=CC=C1C2=NNC(=C2)C(=O)O)[N+](=O)[O-]
Molecular Weight	233.185
Reaxy-Rn	21599474
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21599474&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	233.180 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	233.044 Da
Monoisotopic Mass	233.044 Da
Topological Polar Surface Area	112.000 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	309.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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